3,4-Diethoxybenzoyl chloride
TL;DR: 3,4-Diethoxybenzoyl chloride (CAS 105905-60-0) is a chemical compound with molecular formula C11H13ClO3 and molecular weight 228.05533 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,4-diethoxybenzoyl chloride
Also Known As: 3,4-diethoxybenzoyl chloride, 3,4-Diethoxy-benzoyl chloride, 3,4-diethoxybenzoylchloride, 3,4-Diethoxy-benzoylchloride, 3,4-di-ethoxybenzoyl chloride
Technical Specifications
| Molecular Formula | C11H13ClO3 |
| Molecular Weight | 228.05533 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 228.05533 Da |
| Heavy Atoms | 15 |
| Complexity | 208.0 |
| SMILES | CCOC1=C(C=C(C=C1)C(=O)Cl)OCC |
| InChIKey | CFNNQXOPPGQFHV-UHFFFAOYSA-N |
Chemical Property Profile of 3,4-Diethoxybenzoyl chloride
Property Insights of 3,4-Diethoxybenzoyl chloride
The XLogP value of 3.4 indicates that 3,4-Diethoxybenzoyl chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 3,4-Diethoxybenzoyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Diethoxybenzoyl chloride has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3,4-Diethoxybenzoyl chloride?
The CAS number of 3,4-Diethoxybenzoyl chloride is 105905-60-0.
What is the molecular formula of 3,4-Diethoxybenzoyl chloride?
The molecular formula of 3,4-Diethoxybenzoyl chloride is C11H13ClO3.
What is the molecular weight of 3,4-Diethoxybenzoyl chloride?
The molecular weight of 3,4-Diethoxybenzoyl chloride is 228.05533 g/mol.
Where can I buy 3,4-Diethoxybenzoyl chloride?
You can request a quote for 3,4-Diethoxybenzoyl chloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,4-Diethoxybenzoyl chloride?
Yes, CoreyChem provides custom synthesis services for 3,4-Diethoxybenzoyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.